[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H21F3N2O — CID 80598312

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H21F3N2O/c1-9-6-12(7-9,8-17)11(19)18-4-2-10(3-5-18)13(14,15)16/h9-10H,2-8,17H2,1H3
InChIKeyQREHUBNNDHSYDI-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.16
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 80598312) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID80598312
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H21F3N2O/c1-9-6-12(7-9,8-17)11(19)18-4-2-10(3-5-18)13(14,15)16/h9-10H,2-8,17H2,1H3
InChIKeyQREHUBNNDHSYDI-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 80598312) is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is CC1CC(CN)(C(=O)N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is QREHUBNNDHSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9-6-12(7-9,8-17)11(19)18-4-2-10(3-5-18)13(14,15)16/h9-10H,2-8,17H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 278.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80598312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).